TLR8 agonist 5 -molcms-06132608202D 42 45 0 0 0 0 0 0 0 0999 V2000 -3.3686 0.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0377 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0158 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 2.2748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3323 2.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6828 3.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4107 3.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3104 2.6021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9795 3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6705 4.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9577 3.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6268 3.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6050 3.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9140 2.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8921 2.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5613 3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2522 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2741 4.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9721 1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 2.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 0.6691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 2.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 3.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 4.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 5.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 1.4781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 2 0 0 0 0 5 20 2 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 26 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 36 2 0 0 0 0 41 42 1 0 0 0 0 42 25 1 0 0 0 0 42 32 2 0 0 0 0 M END > TLR8 agonist 5 > 2413016-41-6 > C31H40N6O5 > > 576.69 > 821.1��65.0 ��C(Predicted) > > > O(CCNC(C(C)(C)NC(=O)OCC1C=CC=CC=1)=O)C(C)(C)CN1C(COCC)=NC2C(N)=NC3C=CC=CC=3C1=2 $$$$